AADK - BACSU - GREMLIN Contacts

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AADK - Aminoglycoside 6-adenylyltransferase

UniProt:	P17585	Sequences: MRSEQEMMDIFLDFALNDERIRLVTLEGSRTNRNIPPDNFQDYDISYFVTDVESFKENDQWLEIFGKRIMMQKPEDMELFPPELGNWFSYIILFEDGNKLDLTLIPIREAEDYFANNDGLVKVLLDKDSFINYKVTPNDRQYWIKRPTAREFDDCCNEFWMVSTYVVKGLARNEILFAIDHLNEIVRPNLLRMMAWHIASQKGYSFSMGKNYKFMKRYLSNKEWEELMSTYSVNGYQEMWKSLFTCYALFRKYSKAVSEGLAYKYPDYDEGITKYTEGIYCSVK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	284 (272)
Sequences:	415 (298)
Seq/√Len:	18.1

BACSU - AADK

GREMLIN Results:

Legend: The darker and larger the blue dots, the higher coevolution strength.

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
251_R	269_D	6.459	1.00
22_R	128_D	5.535	1.00
67_K	95_E	4.994	1.00
63_E	68_R	4.653	1.00
193_M	257_V	3.904	1.00
162_V	165_Y	3.863	1.00
226_E	252_K	3.408	1.00
179_I	183_N	3.247	0.99
198_I	215_M	3.158	0.99
233_V	238_E	2.924	0.99
27_E	46_S	2.882	0.99
149_A	153_D	2.594	0.97
187_R	230_T	2.498	0.96
99_K	161_M	2.461	0.96
27_E	121_V	2.433	0.96
173_N	216_K	2.374	0.95
269_D	273_T	2.354	0.95
15_A	24_V	2.348	0.95
92_I	100_L	2.308	0.94
14_F	64_I	2.282	0.94
75_E	154_D	2.186	0.92
195_A	208_M	2.148	0.92
175_I	228_M	2.120	0.91
180_D	211_N	2.045	0.89
251_R	273_T	2.019	0.89
162_V	181_H	2.002	0.88
190_L	249_L	1.941	0.87
120_L	139_D	1.922	0.86
89_S	103_T	1.874	0.85
194_M	253_Y	1.863	0.84
7_M	98_N	1.841	0.84
32_N	120_L	1.824	0.83
25_T	123_V	1.777	0.81
92_I	102_L	1.770	0.81
169_G	177_F	1.767	0.81
167_V	276_T	1.748	0.80
254_S	265_Y	1.745	0.80
195_A	212_Y	1.734	0.80
29_S	44_D	1.729	0.80
194_M	215_M	1.729	0.80
165_Y	181_H	1.705	0.79
7_M	47_Y	1.684	0.78
175_I	179_I	1.661	0.77
13_D	17_N	1.639	0.76
147_P	196_W	1.639	0.76
158_E	189_N	1.628	0.75
191_L	227_L	1.618	0.75
119_G	141_Q	1.611	0.74
5_Q	9_D	1.601	0.74
197_H	223_E	1.592	0.74
265_Y	269_D	1.579	0.73
69_I	266_P	1.575	0.73
12_L	24_V	1.570	0.72
59_D	73_K	1.547	0.71
40_F	171_A	1.538	0.71
197_H	256_A	1.526	0.70
34_N	120_L	1.518	0.70
152_F	258_S	1.516	0.70
75_E	84_L	1.476	0.68
244_F	276_T	1.450	0.66
146_R	261_L	1.448	0.66
27_E	99_K	1.401	0.63
105_I	113_Y	1.400	0.63
59_D	90_Y	1.379	0.62
26_L	31_T	1.357	0.61
95_E	271_G	1.334	0.60
169_G	213_K	1.332	0.59
47_Y	98_N	1.329	0.59
255_K	267_D	1.319	0.59
183_N	187_R	1.309	0.58
26_L	45_I	1.292	0.57
119_G	212_Y	1.289	0.57
91_I	158_E	1.283	0.56
187_R	210_K	1.274	0.56
42_D	101_D	1.266	0.55
25_T	46_S	1.258	0.55
11_F	152_F	1.240	0.54
44_D	101_D	1.239	0.54
163_S	243_L	1.239	0.54
30_R	94_F	1.236	0.54
88_F	106_P	1.231	0.53
7_M	11_F	1.199	0.51
4_E	30_R	1.195	0.51
247_Y	276_T	1.188	0.51
32_N	210_K	1.186	0.51
27_E	118_D	1.178	0.50
52_V	104_L	1.178	0.50
167_V	240_W	1.177	0.50
32_N	209_G	1.167	0.49
27_E	119_G	1.166	0.49
164_T	272_I	1.165	0.49
5_Q	129_S	1.159	0.49
93_L	275_Y	1.157	0.49
112_D	217_R	1.155	0.49
28_G	42_D	1.151	0.48
3_S	150_R	1.150	0.48
61_W	167_V	1.148	0.48
159_F	250_F	1.133	0.47
58_N	262_A	1.124	0.47
19_E	22_R	1.116	0.46
139_D	143_W	1.114	0.46
275_Y	278_G	1.108	0.46
72_Q	158_E	1.100	0.45
29_S	101_D	1.094	0.45
170_L	174_E	1.085	0.44
262_A	270_E	1.084	0.44
32_N	118_D	1.084	0.44
61_W	160_W	1.068	0.43
21_I	59_D	1.062	0.43
28_G	101_D	1.055	0.43
3_S	261_L	1.054	0.42
49_V	169_G	1.044	0.42
72_Q	169_G	1.042	0.42
155_C	193_M	1.041	0.42
24_V	27_E	1.039	0.42
199_A	204_Y	1.028	0.41
52_V	89_S	1.026	0.41
223_E	253_Y	1.026	0.41
35_I	242_S	1.022	0.41
38_D	42_D	1.016	0.40
62_L	177_F	1.016	0.40
259_E	262_A	1.014	0.40
149_A	263_Y	1.013	0.40
114_F	123_V	1.009	0.40
194_M	198_I	1.008	0.40
4_E	37_P	0.994	0.39
28_G	172_R	0.994	0.39
46_S	121_V	0.990	0.39
247_Y	273_T	0.989	0.39
145_K	264_K	0.985	0.38
67_K	277_E	0.978	0.38
189_N	192_R	0.976	0.38
34_N	139_D	0.976	0.38
70_M	272_I	0.975	0.38
91_I	157_N	0.974	0.38
31_T	114_F	0.973	0.38
216_K	236_Y	0.970	0.37
178_A	243_L	0.970	0.37
14_F	35_I	0.967	0.37
144_I	259_E	0.962	0.37
25_T	121_V	0.961	0.37
42_D	172_R	0.958	0.37
101_D	172_R	0.951	0.36
2_R	94_F	0.949	0.36
91_I	161_M	0.945	0.36
32_N	35_I	0.943	0.36
72_Q	99_K	0.943	0.36
62_L	73_K	0.943	0.36
73_K	88_F	0.934	0.35
143_W	207_S	0.932	0.35
38_D	101_D	0.930	0.35
74_P	204_Y	0.925	0.35
149_A	264_K	0.922	0.35
9_D	13_D	0.916	0.34
95_E	171_A	0.914	0.34
2_R	6_E	0.910	0.34
72_Q	91_I	0.907	0.34
39_N	171_A	0.907	0.34
107_I	151_E	0.902	0.34
23_L	107_I	0.897	0.33
81_P	154_D	0.897	0.33
1_M	6_E	0.894	0.33
107_I	173_N	0.889	0.33
41_Q	231_Y	0.889	0.33
12_L	125_L	0.888	0.33
220_S	223_E	0.882	0.33
93_L	178_A	0.881	0.32
221_N	225_E	0.878	0.32
88_F	162_V	0.878	0.32
3_S	16_L	0.876	0.32
177_F	181_H	0.875	0.32
112_D	231_Y	0.874	0.32
267_D	270_E	0.870	0.32
16_L	268_Y	0.867	0.32
181_H	227_L	0.866	0.32
119_G	138_N	0.866	0.32
251_R	265_Y	0.859	0.31
274_K	278_G	0.858	0.31
170_L	240_W	0.856	0.31
72_Q	209_G	0.849	0.31
119_G	207_S	0.848	0.31
72_Q	102_L	0.843	0.30
70_M	73_K	0.841	0.30
155_C	250_F	0.840	0.30
4_E	94_F	0.839	0.30
136_T	145_K	0.836	0.30
101_D	168_K	0.833	0.30
139_D	207_S	0.828	0.30
120_L	209_G	0.826	0.30
197_H	220_S	0.823	0.29
29_S	42_D	0.821	0.29
165_Y	177_F	0.820	0.29
163_S	247_Y	0.820	0.29
123_V	246_C	0.814	0.29
129_S	217_R	0.814	0.29
118_D	142_Y	0.812	0.29
51_D	54_S	0.809	0.29
2_R	92_I	0.804	0.28
161_M	177_F	0.799	0.28
30_R	43_Y	0.796	0.28
173_N	236_Y	0.794	0.28
162_V	185_I	0.791	0.28
75_E	87_W	0.791	0.28
34_N	217_R	0.789	0.28
136_T	245_T	0.780	0.27
38_D	44_D	0.777	0.27
214_F	257_V	0.773	0.27
160_W	269_D	0.771	0.27
91_I	99_K	0.771	0.27
98_N	219_L	0.765	0.27
89_S	189_N	0.761	0.26
66_G	168_K	0.759	0.26
171_A	278_G	0.757	0.26
71_M	228_M	0.753	0.26
225_E	263_Y	0.753	0.26
202_K	253_Y	0.751	0.26
85_G	256_A	0.748	0.26
170_L	234_N	0.747	0.26
143_W	180_D	0.734	0.25
91_I	97_G	0.733	0.25
46_S	99_K	0.733	0.25
176_L	181_H	0.733	0.25
67_K	259_E	0.732	0.25
9_D	233_V	0.731	0.25
69_I	235_G	0.731	0.25
17_N	129_S	0.730	0.25
10_I	47_Y	0.728	0.25
237_Q	258_S	0.727	0.25
9_D	148_T	0.726	0.25
42_D	168_K	0.726	0.25
200_S	204_Y	0.723	0.25
268_Y	277_E	0.721	0.24
10_I	92_I	0.719	0.24
10_I	14_F	0.718	0.24
110_A	114_F	0.717	0.24
252_K	262_A	0.716	0.24
123_V	218_Y	0.714	0.24
119_G	140_R	0.709	0.24
87_W	105_I	0.709	0.24
85_G	165_Y	0.708	0.24
74_P	88_F	0.706	0.24
32_N	187_R	0.702	0.24
2_R	30_R	0.701	0.24
239_M	242_S	0.700	0.24
54_S	58_N	0.699	0.24
221_N	235_G	0.696	0.23
263_Y	269_D	0.696	0.23
216_K	263_Y	0.695	0.23
189_N	232_S	0.691	0.23
178_A	227_L	0.691	0.23
44_D	168_K	0.690	0.23
2_R	96_D	0.685	0.23
201_Q	238_E	0.683	0.23
7_M	214_F	0.682	0.23
151_E	225_E	0.680	0.23
165_Y	169_G	0.677	0.23
266_P	269_D	0.671	0.22
114_F	134_K	0.671	0.22
225_E	238_E	0.670	0.22
108_R	149_A	0.670	0.22
148_T	184_E	0.670	0.22
43_Y	209_G	0.667	0.22
44_D	172_R	0.665	0.22
48_F	148_T	0.663	0.22
208_M	212_Y	0.662	0.22
141_Q	276_T	0.661	0.22
5_Q	255_K	0.656	0.22
190_L	224_W	0.654	0.22
102_L	213_K	0.651	0.21
69_I	93_L	0.647	0.21
237_Q	262_A	0.646	0.21
65_F	96_D	0.645	0.21
27_E	48_F	0.644	0.21
99_K	177_F	0.644	0.21
20_R	54_S	0.644	0.21
75_E	89_S	0.643	0.21
43_Y	65_F	0.642	0.21
162_V	186_V	0.642	0.21
28_G	38_D	0.638	0.21
90_Y	218_Y	0.635	0.21
117_N	202_K	0.635	0.21
28_G	44_D	0.635	0.21
92_I	275_Y	0.634	0.21
176_L	227_L	0.632	0.21
251_R	266_P	0.631	0.21
255_K	277_E	0.631	0.21
99_K	209_G	0.629	0.21
52_V	56_K	0.628	0.21
41_Q	210_K	0.628	0.21
61_W	94_F	0.624	0.20
186_V	223_E	0.620	0.20
142_Y	209_G	0.619	0.20
120_L	141_Q	0.619	0.20
56_K	119_G	0.616	0.20
5_Q	242_S	0.615	0.20
126_D	172_R	0.615	0.20
242_S	245_T	0.613	0.20
121_V	134_K	0.613	0.20
155_C	189_N	0.613	0.20
17_N	264_K	0.611	0.20
57_E	235_G	0.609	0.20
91_I	169_G	0.607	0.20
25_T	48_F	0.607	0.20
73_K	103_T	0.605	0.20
221_N	264_K	0.605	0.20
195_A	234_N	0.604	0.20
157_N	193_M	0.604	0.20
168_K	172_R	0.603	0.20
49_V	209_G	0.602	0.19
30_R	126_D	0.599	0.19
66_G	172_R	0.598	0.19
23_L	177_F	0.597	0.19
69_I	278_G	0.596	0.19
57_E	148_T	0.595	0.19
149_A	217_R	0.595	0.19
198_I	253_Y	0.593	0.19
169_G	214_F	0.593	0.19
230_T	242_S	0.591	0.19
186_V	189_N	0.590	0.19
167_V	179_I	0.590	0.19
38_D	172_R	0.590	0.19
86_N	100_L	0.587	0.19
86_N	278_G	0.586	0.19
53_E	57_E	0.586	0.19
45_I	54_S	0.584	0.19
212_Y	276_T	0.584	0.19
65_F	218_Y	0.583	0.19
236_Y	257_V	0.582	0.19
183_N	233_V	0.582	0.19
25_T	89_S	0.581	0.19
2_R	43_Y	0.580	0.19
99_K	168_K	0.578	0.19
104_L	243_L	0.576	0.18
45_I	195_A	0.575	0.18
74_P	91_I	0.574	0.18
107_I	226_E	0.573	0.18
25_T	103_T	0.572	0.18
136_T	193_M	0.570	0.18
17_N	53_E	0.570	0.18
47_Y	204_Y	0.570	0.18
106_P	243_L	0.569	0.18
130_F	140_R	0.569	0.18
3_S	215_M	0.568	0.18
175_I	263_Y	0.567	0.18
102_L	169_G	0.567	0.18
41_Q	209_G	0.566	0.18
99_K	169_G	0.565	0.18
179_I	232_S	0.563	0.18
57_E	112_D	0.563	0.18
228_M	236_Y	0.562	0.18
167_V	181_H	0.559	0.18
21_I	117_N	0.558	0.18
39_N	278_G	0.558	0.18
47_Y	275_Y	0.557	0.18
37_P	43_Y	0.555	0.18
204_Y	250_F	0.553	0.18
3_S	6_E	0.552	0.18
18_D	24_V	0.551	0.18
214_F	265_Y	0.550	0.18
6_E	146_R	0.550	0.18
72_Q	213_K	0.549	0.18
119_G	174_E	0.548	0.17
169_G	209_G	0.547	0.17
175_I	236_Y	0.547	0.17
26_L	210_K	0.543	0.17
68_R	92_I	0.542	0.17
20_R	55_F	0.541	0.17
182_L	216_K	0.539	0.17
92_I	96_D	0.539	0.17
204_Y	261_L	0.539	0.17
35_I	214_F	0.534	0.17
72_Q	165_Y	0.534	0.17
70_M	146_R	0.533	0.17
148_T	274_K	0.533	0.17
117_N	141_Q	0.532	0.17
129_S	140_R	0.532	0.17
102_L	142_Y	0.530	0.17
164_T	275_Y	0.530	0.17
157_N	168_K	0.528	0.17
142_Y	155_C	0.526	0.17
158_E	186_V	0.526	0.17
8_M	26_L	0.525	0.17
221_N	267_D	0.523	0.17
94_F	142_Y	0.521	0.17
60_Q	267_D	0.521	0.17
29_S	172_R	0.521	0.17
170_L	186_V	0.520	0.17
176_L	224_W	0.519	0.16
88_F	102_L	0.517	0.16
225_E	259_E	0.516	0.16
14_F	266_P	0.515	0.16
68_R	104_L	0.515	0.16
121_V	178_A	0.514	0.16
29_S	38_D	0.514	0.16
75_E	192_R	0.514	0.16
22_R	127_K	0.513	0.16
94_F	131_I	0.513	0.16
90_Y	243_L	0.512	0.16
262_A	274_K	0.508	0.16
268_Y	271_G	0.506	0.16
152_F	252_K	0.505	0.16
86_N	134_K	0.504	0.16
148_T	229_S	0.503	0.16
156_C	250_F	0.502	0.16
232_S	238_E	0.502	0.16
203_G	263_Y	0.502	0.16
73_K	104_L	0.502	0.16
40_F	190_L	0.500	0.16

Legend: The i and j are positions as given in the UniProt sequence. Only predictions with Prob ≥ 0.7 are listed. For all 3L/2 predictions, click on one of the links below.

Sco = ((raw_sco - min_sco)/(avg_sco - min_sco))/2 + 0.5
Prob = P(contact | Sco, seq80/√len)
seq80 = effective number of sequences, after reducing redundancy to 80% identity

Text file of predictions (all 3L/2 predictions)
Generate restraints for ROSETTA Structure Modeling
Upload PDB model overlay contacts on the model

HHsearch Results:

Legend: GREMLIN results (Prob ≥ 0.7) overlaid on top PDB hits. The grey/red filled circles underneath are pdb residue contacts (min distance < 5 Angstroms). The shade of the circles is based on the top 10 (or top 20 if e-value < 1E-20) HHsearch results which uses the overall probability and per-site alignment prob. Inter oligomeric contacts in the pdb are in shades of red.

PDB	Chains	Cov	%	HHΔ
2pbeA	1	0.9261	100	0.249	Contact Map
3jz0A	2	0.9049	100	0.478	Contact Map
1knyA	2	0.7887	98.2	0.908	Contact Map
1no5A	4	0.3345	96.3	0.934	Contact Map
4ebjA	2	0.8627	95.3	0.938	Contact Map
2rffA	1	0.331	93.9	0.943	Contact Map
1wotA	1	0.3275	93.7	0.943	Contact Map
3c18A	2	0.8169	93.4	0.944	Contact Map
1ylqA	2	0.3134	92.5	0.946	Contact Map
4cs6A	1	0.7852	85.5	0.953	Contact Map

Sequence Conservation (Image Generated using WebLogo v3)

Legend: Color is used to show Hydrophobicity (Blue: Hydrophilic, Green: Neutral and Black: Hydrophobic). Amount of gaps is represented by width.

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